SCHEMBL3673714

SCHEMBL3673714

CN(C)c1ccc2c(=O)n(-c3cccc(-c4cc(Nc5ccc(CN6CCOCC6)cn5)c(=O)n(C)c4)c3CO)ccc2c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.79
YES1 P07947 1/20 0.49
FGR P09769 1/20 0.49
TEC P42680 1/20 0.49
BMX P51813 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLK Q9H2G2 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14837483 0.90 BTK (0.64) BTK
SCHEMBL3207086 0.90 BTK (0.81) BTKYES1FGRTECBMX
SCHEMBL1726748 0.89 BTK (0.74) BTKYES1FGRTECBMX
SCHEMBL3218785 0.89 BTK (0.64) BTKYES1FGRTECBMX
SCHEMBL1725222 0.88 BTK (1.00) BTK
SCHEMBL3207537 0.85 BTK (0.73) BTKYES1FGRTECBMX
SCHEMBL3203875 0.84 BTK (0.82) BTK
SCHEMBL3207651 0.82 BTK (0.69) BTKYES1FGRTECBMX
SCHEMBL3211071 0.82 BTK (0.69) BTKYES1FGRTECBMX
SCHEMBL1725376 0.81 BTK (0.86) BTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242749-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. Hoffmann-La Roche AG (CH) 2010-10-27 EP disclosed
WO-2009098144-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed